J/A+A/457/721      IRON Project. LXII. Fe XVIII transitions       (Nahar, 2006)

Atomic data from the Iron Project. LXII. Allowed and forbidden transitions in Fe XVIII in relativistic Breit-Pauli approximation. Nahar S.N. <Astron. Astrophys. 457, 721 (2006)> =2006A&A...457..721N 2006A&A...457..721N
ADC_Keywords: Atomic physics Keywords: atomic processes - atomic data - line: formation - X-rays: general - ultraviolet: general - infrared: general Abstract: An extensive set of oscillator strengths (f), line strengths (S) and radiative decay rates (A) for the allowed and forbidden transitions in Fe XVIII is presented. The results include 1174 fine structure levels of total angular momenta J=1/2-17/2 of even and odd parities with 2≤n≤10, 0≤l≤9, orbital angular momenta, 0≤L≤11, and spin multiplicities 2, 4. These yield about 171500 transitions. The allowed electric dipole (E1) transitions, 141 869 in total, are obtained in the close coupling approximation using the relativistic Breit-Pauli R-matrix (BPRM) method. The forbidden electric quadrupole (E2), octupole (E3), and magnetic dipole (M1), quadrupole (M2) transitions, 29 682 in total, are obtained from configuration interaction Breit-Pauli atomic structure calculations using the code SUPERSTRUCTURE. The close coupling wavefunction expansion for Fe XVIII includes 10 levels of configurations 2s2 2p4, 2s2p5, and 2p6 in the BRPM calculations. All fine structure levels have been identified spectroscopically. Erratum: A bug was detected and corrected in early 2007 in one of the stages called RECUPD (Storey, Berrington, Werner, 2007, private Iron Project communications) of the Breit-Pauli R-matrix (BPRM) codes of the Iron Project. It was related to the the phase factor of dipole matrix elements of the Iron Project (Berrington et al., 1995, Comput. Phys. Commun. 92, 290) and affected certain transition probabilities. The new results on energies and transition probabilities for Fe XX (Nahar, 2004, J/A+A/413/779) and Fe XVIII (Nahar, 2006, J/A+A/457/721, this paper) using the corrected code are replacing the earlier results at CDS. It should be noted that stage RECUPD in BPRM codes does not exist in the LS coupling R-matrix code from the Opacity Project (Berrington et al., 1987, J. Phys. B 20, 6379) and hence does not affect the non-relativistic results. Results for other ions, obtained using BPRM codes, did not indicate the bug effect when compared with existing results. However, I am repeating the calculations for these ions and will replace the earlier results. The E1 transition probabilities for Fe XX have been recomputed. The new files are: table3a, table3b -> fine structure energy levels of Fe XVIII table4a, table4b -> complete table of E1 fine structure transitions in Fe XVIII table5 -> table of fine structure transitions in Fe XVIII using observed energies In paper LIV (Fe XX), J/A+A/413/779, files were also corrected. File Summary: -------------------------------------------------------------------------------- FileName Lrecl Records Explanations -------------------------------------------------------------------------------- ReadMe 80 . This file table3a.txt 92 1582 *Fine structure energy levels of Fe XVIII as sets of LS term components. table3b.dat 74 1174 Fine structure energies in sets of various Jπ symmetries of Fe XVIII. table4a.dat 79 1174 Energy level set.dat 26 25 Set of initial and final g, P and N values for table4b.dat table4b.dat 79 141869 f-, S and A-values for allowed E1 transitions in Fe XVIII. table5.dat 80 93 *Oscillator strengths f, S, A-values for allowed E1 fine structure transitions with the observed energy levels only table7.dat 80 243 *Fine structure levels of Fe XVIII and their relative energies for which forbidden transitions have been obtained. table8a.dat 91 4782 *Forbidden octupole E3 and quadrupole M2 transitions in Breit-Pauli approximation table8b.dat 91 12896 *Forbidden quadrupole E2 and dipole M1 transitions in Breit-Pauli approximation f.allowed.fe18.user 86 145972 Original file for tables 3 and 4 f.forbid.fe18.user 92 18009 Original file for tables 7 and 8 lifetime.f 79 212 Fortran code for f.allowed.fe18.user and f.forbid.fe18.user -------------------------------------------------------------------------------- Note on table3a.txt: Total number of levels = 1174 C_t is the core configuration, nu is the effective quantum number. Nlv=Number of levels expected Nlv(c)=Number of levels obtained Nlv=Nlv(c) -> set complete For Equivalent electron levels: (i) no EQN (effective qn) (ii) no check of set completeness First lines: Configuration J E(Ry) EQN LS terms Eqv electron/unidentified levels, parity: o 2s22p5 3/2 -9.98779E+01 2 P o 2s22p5 1/2 -9.89033E+01 2 P o Nlv(c)= 2 : set complete Eqv electron/unidentified levels, parity: e 2s22p5 1/2 -9.00863E+01 2 S e Nlv(c)= 1 : set complete Nlv= 3, 4Le: P ( 5 3 1 )/2 2s22p4 (3Pe) 2 3s 5/2 -4.30858E+01 2.74 4 P e 2s22p4 (3Pe) 0 3s 3/2 -4.28383E+01 2.72 4 P e 2s22p4 (3Pe) 1 3s 1/2 -4.23704E+01 2.74 4 P e Nlv(c)= 3 : set complete Note on table5.dat: nz = 26, No. of core electrons = 8 Number of observed levels = 47, No of transitions = 76 ERRATUM: Results for E1 transitions correspond to repeated calculations after correcting the phase bug in Breit-Pauli R-matrix code. The bug affected certain transitions. Note on table7.dat: Ion: nz = 26, nelc = 9 Total Number of LS terms= 108 Number of fine structure levels = 243 Number of default fine structure levels = 243 Fine Structure energies: relativistic(BP): level 73 = 2De(J2= 5), cnf =11 has the largest % diff= Note on table8a.dat table8b.dat: Table 8 of radiative decay rates in s-1 for the forbidden electric quadrupole (AE2), electric octupole (AE3), magnetic dipole (AM1) and magnetic quadrupole (AM3) transitions in Fe XVIII. Number of transitions: E3 = 4782, M2 = 3378, Total E3+M2 = 8160 Total number of lines of M2/E3 transitions = 4782 Number of transitions: E2 = 12084, M1 = 9438, Total E2+M1 = 21522 Total number of transitions lines (including non-spectroscopic) = 12896 NT= total number of forbidden (E2,M1,E3,M2) transitions = 21522 + 8160 = 29682 -------------------------------------------------------------------------------- See also: J/A+AS/103/273 : IRON Project II IR collision strengths of C-like ions J/A+A/283/319 : IRON Project III B-like ions J/A+AS/108/1 : IRON Project V Collision strengths of O-like ions J/A+A/293/953 : IRON Project VI Fe II collision strengths J/A+A/293/967 : IRON Project VII Fe II radiative transitions J/A+AS/109/193 : IRON Project VIII Electron excitation of Ti-like ions J/A+AS/119/509 : IRON Project XVII Radiative transition in Fe III J/A+AS/119/523 : IRON Project XVIII Electron impact for Fe III J/A+AS/120/361 : IRON Project XIX Fe II radiative transitions J/A+AS/123/159 : IRON Project XXII C and O radiative rates J/A+AS/123/575 : IRON Project XXIII Fe XXII excitation rate coefficients J/A+AS/126/373 : IRON Project XXVII Fe IV collision strengths J/A+AS/131/499 : IRON Project XXIX Boron isoelectronic sequence J/A+AS/131/153 : IRON Project XXXI Fe XII electron excitation J/A+AS/135/347 : IRON Project XXXV Fe XXIV & Fe XXV oscillator strengths J/A+AS/136/395 : IRON Project XXXVII Fe VI collision strengths J/A+AS/137/165 : IRON Project XXXVIII Fe XV fine-structure transitions J/A+AS/143/483 : IRON Project XLII Fe XXI electron impact excitation J/A+AS/144/141 : IRON Project XLIII Fe V transition probabilities J/A+AS/147/111 : IRON Project XLIV Fe VI trans. prob. & line ratio J/A+AS/147/253 : IRON Project XLV Ar XIII, Fe XXI trans. probabilities J/A+A/365/268 : IRON Project XLVII Ni III electron impact excitation J/A+A/372/1078 : IRON Project XLIX Fe XX electron impact excitation J/A+A/372/1083 : IRON Project L Fe XIX electron impact excitation J/A+A/394/753 : IRON Project LI Fe IX electron impact excitation J/A+A/408/789 : IRON Project LIII Fe XVII transition probabilities J/A+A/413/779 : IRON Project LIV Fe XX transition probabilities J/A+A/420/763 : IRON Project LV Ni II electron impact excitation J/A+A/437/345 : IRON Project LIX Fe IV transition probabilities J/A+A/448/779 : IRON Project LXI Fe IV radiative transitions J/A+A/466/763 : IRON Project LXIII Fe19+ electron impact excitation Byte-by-byte Description of file: table3b.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 3 I3 --- Nlv Total number of symmetry Jπ (1) 5- 10 A6 --- Jpi J value and parity (o: odd, e: even) 13- 15 I3 --- iii level index (in range 1..Nlv) 17- 22 A6 --- Ct Target configuration (2) 28- 30 A3 --- SLpit Target core level 33- 35 A3 --- Jt Target J value (2) 37- 39 A3 --- nl Principal and orbital quantum numbers of the outer electron 42- 45 A4 --- J J value (repetition of bytes 5-8) 48- 59 E12.5 Ry Elev Energy of the level 61- 65 F5.2 --- EQN ? Effective Quantum Number (3) 68- 74 A7 --- Terms Possible LS terms of the energy level -------------------------------------------------------------------------------- Note (1): total number of levels belonging to the specified symmetry. Z = 26, No. of core electrons = 8, Nlv(cal) = 1174 Target levels: 10 --------------------------------------- Config SLp J E(Ry) --------------------------------------- 1 2s22p4 3Pe 2 0.00000E+00 2 2s22p4 3Pe 0 6.85000E-01 3 2s22p4 3Pe 1 8.15050E-01 4 2s22p4 1De 2 1.53869E+00 5 2s22p4 1Se 0 2.96280E+00 6 2s2p5 3Po 2 8.40990E+00 7 2s2p5 3Po 1 8.97360E+00 8 2s2p5 3Po 0 9.38623E+00 9 2s2p5 1Po 1 1.15510E+01 10 2p6 1Se 0 1.94480E+01 --------------------------------------- Number of fine structure levels: ---------------------------------------- J pi Nlv(c) ---------------------------------------- 1 0 74 1 1 73 3 0 112 3 1 114 5 0 117 5 1 114 7 0 94 7 1 96 9 0 74 9 1 72 11 0 51 11 1 55 13 0 32 13 1 36 15 0 16 15 1 22 17 0 12 17 1 10 ---------------------------------------- Total number of levels = 1174 Note (2): T(config SLpi Jt): T -> target (core) of the level Note (3): No EQN is assigned for Equivalent electron levels -------------------------------------------------------------------------------- Byte-by-byte Description of file: table4a.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 2- 5 I4 --- i [1,1174] Level index 8- 10 F3.1 --- J J value 12 A1 --- p [eo] Parity (o: odd, e: even) 15- 17 I3 --- iii Level position index within J+p 22- 33 E12.7 Ry Eobs Energy (1) 36- 53 A18 --- conf Configuration 55- 61 A7 --- LS LS term (2) 73- 79 I7 --- jjpiiii Energy level ids (3) -------------------------------------------------------------------------------- Note (1): nz = 26 , No. of core electrons= 8 1174 = number of energies (Ecalc are replaced by available' Eobs) Note (2): Note that there may be more than one possible LS term for some j-levels. Simple assumption: higher L -> lower energy Note (3): Energy levels with ids: jjpiiii jj=2 x total angular momentum j, p=parity, iii=level position. -------------------------------------------------------------------------------- Byte-by-byte Description of file: set.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 2 I2 --- Set Set number 4- 5 I2 --- gi Initial statistical weight factor 7 I1 --- Pi [0/1] Initial parity value 9- 10 I2 --- gf Final statistical weight factor 12 I1 --- Pf [0/1] Final parity value 14- 16 I3 --- Ni Initial Nlv value 18- 20 I3 --- Nf Final Nlv value 22- 26 I5 --- NN Total number of transitions in the set -------------------------------------------------------------------------------- Byte-by-byte Description of file: table4b.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 2 I2 --- Set Set, as defined in set.dat file 5- 7 I3 --- i Initial level (index in set) 9- 11 I3 --- j Final level (index in set) 13- 22 F10.2 0.1nm wl Wavelength of the transition 24- 34 E11.6 Ry Ei Initial energy 36- 46 E11.6 Ry Ej Final energy 48- 57 E10.5 --- fL fL value 60- 68 E9.4 --- S Line strength 71- 79 E9.4 s-1 Aji Einstein Aji coefficient -------------------------------------------------------------------------------- Byte-by-byte Description of file: table5.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 2- 7 A6 --- Ci Initial configuration 14- 25 A12 --- Cj Final configuration 26- 28 A3 --- slpi Initial core level (G1) (G2) 30- 32 A3 --- slpj Final core level (G1) (G2) 34- 35 I2 --- gi Initial statistical weight factor 37- 38 I2 --- Ii ? Energy level index of 2Ji+1 (no value when Ci = LS) 40- 41 I2 --- gj Final statistical weight factor 43- 44 I2 --- Ij ? Energy level index of 2Jj+1 (no value when Ci = LS) 48- 53 F6.2 0.1nm Eij ? Transition energy 55- 62 E8.3 --- f Oscillator strength (f value) 64- 71 E8.3 --- S Line strength 73- 80 E8.3 s-1 A Radiative decay rate (A value) ----------------------------------------------------------------------------- Byte-by-byte Description of file: table7.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 3- 5 I3 --- ie Fine structure energy level 8- 14 A7 --- SLp(Cf) Theoretical LS symmetry of the level and the configuration number (G1) 17- 18 I2 --- 2J Theoretical 2J value 22- 30 F9.1 --- k*cm Theoretical k*cm value 32- 41 E10.5 Ry Eth Theoretical energy 43- 55 A13 --- Conf Configuration 60- 63 I4 --- SLP Expected SLP value 65- 74 E10.5 Ry E Expected energy (actual set to use) 78- 80 F3.1 --- df %df value -------------------------------------------------------------------------------- Byte-by-byte Description of file: table8a.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 3 I3 --- Ni Initial number 5- 7 I3 --- Nj Final number 9- 13 A5 --- SLpi(Ci) Initial core level (G1) (G2) 15- 19 A5 --- SLpj(Cj) Final core level (G1) (G2) 21- 22 I2 --- gi Initial statistical weight factor 24- 25 I2 --- gj Final statistical weight factor 27- 35 F9.2 0.1nm wl Wavelength in vacuum 37- 45 E9.4 Ry Ei Initial energy 47- 55 E9.4 Ry Ej Final energy 57- 64 E8.3 --- SE3 E3 line strength (G3) 66- 73 E8.3 s-1 AE3 Forbidden E3 transition probability 75- 82 E8.3 --- SM2 M2 line strength (G3) 84- 91 E8.3 s-1 AM2 Forbidden M2 transition probability -------------------------------------------------------------------------------- Byte-by-byte Description of file: table8b.dat -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 3 I3 --- Ni Initial number 5- 7 I3 --- Nj Final number 9- 13 A5 --- SLpi(Ci) Initial core level (G1) (G2) 15- 19 A5 --- SLpj(Cj) Final core level (G1) (G2) 21- 22 I2 --- gi Initial statistical weight factor 24- 25 I2 --- gj Final statistical weight factor 27- 35 F9.2 0.1nm wl Wavelength in vacuum 37- 45 E9.4 Ry Ei Initial energy 47- 55 E9.4 Ry Ej Final energy 57- 64 E8.3 --- SE2 E2 line strength (G3) 66- 73 E8.3 s-1 AE2 Forbidden E2 transition probability 75- 82 E8.3 --- SM1 M1 line strength (G3) 84- 91 E8.3 s-1 AM1 Forbidden M1 transition probability -------------------------------------------------------------------------------- Global notes: Note (G1): The configuration indices (Cf, Ci or Cj) correspond to: 1 = 2s22p5 2 = 2s2p6 3 = 2s22p43s 4 = 2s22p43p 5 = 2s22p43d 6 = 2s22p44s 7 = 2s22p44p 8 = 2s22p44d 9 = 2s22p44f 10 = 2s2p53s 11 = 2s2p53p 12 = 2s2p53d 13 = 2s2p54s 14 = 2s2p54p 15 = 2s2p54d Note (G2): T denotes the LS term, SLπ, and Ntr is the number of transitions Note (G3): Ignore the negative signs in line strengths S -------------------------------------------------------------------------------- Acknowledgements: Sultana Nahar, nahar(at)astronomy.ohio-state.edu References: 1993A&A...279..298H 1993A&A...279..298H : IRON Project I Goal and methods 1994A&AS..107...29S 1994A&AS..107...29S : IRON Project IV Electron excitation of F-like ions 1995A&AS..110..209P 1995A&AS..110..209P : IRON Project IX Electron excitation of Cl-like ion 1995A&AS..111..347G 1995A&AS..111..347G : IRON Project X Si- & S-like ions IR coll. strengths 1996A&AS..115..151S 1996A&AS..115..151S : IRON Project XI Ar VI, K VII & CaVIII fine-structure 1995A&AS..114..367B 1995A&AS..114..367B : IRON Project XII V-like ions electron excitation 1996A&AS..115..551B 1996A&AS..115..551B : IRON Project XIII Ni II & Fe II electron excitation 1996A&A...309..677S 1996A&A...309..677S : IRON Project XIV Fe XIV fine-structure transition 1996A&AS..118..157K 1996A&AS..118..157K : IRON Project XV He II & Fe XXVI Electron excitation 1996A&AS..119..105B 1996A&AS..119..105B : IRON Project XVI Fe V oscillator strengths 1997A&AS..122..167B 1997A&AS..122..167B : IRON Project XX Fe I oscillator strengths 1997A&AS..122..177P 1997A&AS..122..177P : IRON Project XXI Fe I fine-structure transition 1997A&AS..126..105B 1997A&AS..126..105B : IRON Project XXIV Fe XXIV electron excitation 1998A&AS..127..545B 1998A&AS..127..545B : IRON Project XXV Fe XII electron excitation 1997A&AS..126..365B 1997A&AS..126..365B : IRON Project XXVI Fe IV oscillator strengths 1998A&AS..129..161B 1998A&AS..129..161B : IRON Project XXVIII F-like ions fine-structure trans. 1999A&AS..134..369S 1999A&AS..134..369S : IRON Project XXX P III, S IV & Cl V collision data 1998A&AS..133..245G 1998A&AS..133..245G : IRON Project XXXII Ar III effective collision strength 1999A&AS..135..159M 1999A&AS..135..159M : IRON Project XXXIII Carbon radiative rates 1999A&AS..136..385E 1999A&AS..136..385E : IRON Project XXXIV Fe XVI electron impact excitation 1999A&AS..137..175C 1999A&AS..137..175C : IRON Project XXXVI Fe XXIII electron excitation 1999A&AS..137..529B 1999A&AS..137..529B : IRON Project XXXIX Ni II oscillator strengths 2000A&AS..141..285S 2000A&AS..141..285S : IRON Project XL Fe XIV electron excitation 2000A&AS..142..313B 2000A&AS..142..313B : IRON Project XLI Fe VII electron excitation 2001A&A...365..258P 2001A&A...365..258P : IRON Project XLVI Fe X electron excitation 2003A&A...401.1177C 2003A&A...401.1177C : IRON Project LII Ni24 electron excitation 2005A&A...436.1123M 2005A&A...436.1123M : IRON Project LVII Ni IV radiative transition rates 2005A&A...433..717S 2005A&A...433..717S : IRON Project LVIII Fe XII electron impact excitation 2006A&A...446..361W 2006A&A...446..361W : IRON Project LX Fe17+ electron impact excitation History: * 19-Sep-2006: Original version * 06-Nov-2008: corrected version, table3, table4, table5
(End) Patricia Vannier [CDS] 17-Jul-2006
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